8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol

C21H21FN2O — CID 162652991

IUPAC8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol
SMILESOc1ccc2ccncc2c1C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H21FN2O/c22-17-7-4-16(5-8-17)21(24-12-2-1-3-13-24)20-18-14-23-11-10-15(18)6-9-19(20)25/h4-11,14,21,25H,1-3,12-13H2
InChIKeyIPXSXGVIYDXDTA-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.65
Rot. Bonds3

About 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol

8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol (PubChem CID 162652991) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol.

Molecular Properties

Compound Name8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol
PubChem CID162652991
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol
SMILESOc1ccc2ccncc2c1C(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H21FN2O/c22-17-7-4-16(5-8-17)21(24-12-2-1-3-13-24)20-18-14-23-11-10-15(18)6-9-19(20)25/h4-11,14,21,25H,1-3,12-13H2
InChIKeyIPXSXGVIYDXDTA-UHFFFAOYSA-N
XLogP4.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Isoquinolin-5-ol
CID 30386
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
8-Hydroxyisoquinoline
CID 135441711
6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
6-[4-(Pyridin-4-ylmethyl)phenyl]naphthalen-2-ol
CID 46901929
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
7-Isoquinolinol
CID 459767
2-Fluoro-4-[5-(pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]phenol
CID 25033805
4-[5-(Piperidin-3-ylamino)isoquinolin-7-yl]phenol
CID 156018227
1-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2396090
16,16-Diphenyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaen-10-ol chloride
CID 15281331

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol?
The IUPAC name of 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol (CID 162652991) is 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol.
What is the SMILES notation for 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol?
The canonical SMILES for 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol is Oc1ccc2ccncc2c1C(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol?
The InChIKey is IPXSXGVIYDXDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-17-7-4-16(5-8-17)21(24-12-2-1-3-13-24)20-18-14-23-11-10-15(18)6-9-19(20)25/h4-11,14,21,25H,1-3,12-13H2.
What are the key properties of 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol?
8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol has a molecular weight of 336.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)-piperidin-1-ylmethyl]isoquinolin-7-ol is sourced from PubChem (CID 162652991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).